Minimum Energy and Total Dipole Moment

2020 ◽  
Vol 532 (9) ◽  
pp. 2000106 ◽  
Author(s):  
Josep Batle
Keyword(s):  
Dipole Moment ◽  
Minimum Energy ◽  
Total Dipole Moment

scholarly journals Modelling of electromagnetic properties of multicomponent material

2018 ◽  
Vol 84 (7) ◽  
pp. 38-41
Author(s):  
V. P. Krylov
Keyword(s):  
Magnetic Properties ◽  
Dipole Moment ◽  
Heterogeneous Media ◽  
Dielectric Permeability ◽  
Electromagnetic Properties ◽  
Heuristic Model ◽  
Total Dipole Moment ◽  
Electrodynamic Parameter ◽  
Multicomponent Material

Current theories of heterogeneous media consider non-uniform materials as natural and artificially synthesizable structures. Nowadays, synthesis of the non-uniform multicomponent materials with given electrodynamic properties and characterized by magnetic and dielectric permeability, is gaining increasing development. When modeling a multicomponent structure as a uniform material with effective dielectric permeability (ignoring the magnetic properties) using the developed models for the components with known dielectric permeability, the errors arise in calculation of the transmission coefficient of a plane wave through the antenna dome wall. We present a heuristic model based on the laws of optics which is intended for simultaneous determination of the effective magnetic and dielectric permeability of multicomponent material in contrast to known models describing statistically non-uniform media only for one electrodynamic parameter. The electrodynamic model developed for description of the effective magnetic and dielectric permeability of non-uniform material suggests a possibility of characterizing a polarized material with the total dipole moment arising in alternating field and expressing the Brewster angle as a the sum of the polarization angles proportional to volume content the mixture components.

Dipole moments of hydroxamic acids and N,O-diacylhydroxylamines

1981 ◽  
Vol 46 (3) ◽  
pp. 729-739 ◽  
Author(s):  
Aleksandr I. Artemenko ◽  
Inga V. Tikunova ◽  
Evgenii K. Anufriev ◽  
Václav Jehlička ◽  
Otto Exner
Keyword(s):  
Hydrogen Bond ◽  
Dipole Moment ◽  
Intramolecular Hydrogen Bond ◽  
Dipole Moments ◽  
Hydroxamic Acids ◽  
The Other ◽  
Total Dipole Moment ◽  
Statistical Population ◽  
Intramolecular Hydrogen ◽  
Peroxy Acids

Dipole moments of nine aromatic hydroxamic acids Ia-Ii and of nine N,O-diacylhydroxylamines IIa-IIi were measured in dioxan solution. The results for hydroxamic acids are interpreted in terms of the Zsp conformation (A) with an intramolecular hydrogen bond contributing considerably to the total dipole moment; the conformation is similar to that of peroxy acids but the hydrogen bond is weaker. A similar interpretation is possible for N-phenylbenzhydroxamic acids using the dipole moment data from the literature. New data for N,O-diacylhydroxylamine agree with the previously established nonplanar conformation (L). If axially unsymetrical aryl groups are present, they take one of the two coplanar positions independently of the other moiety; hence the effective dipole moments do not differ too much from the assumption of a statistical population of all conformations.

Rotational Isomerism and the Orientation of the Total Dipole Moment

1980 ◽  
Vol 35 (7) ◽  
pp. 748-756 ◽  
Author(s):  
Ivan Botskor
Keyword(s):  
Experimental Data ◽  
Dipole Moment ◽  
Gas Phase ◽  
Dipole Moments ◽  
Microwave Spectroscopy ◽  
Rotational Isomerism ◽  
Total Dipole Moment

A method for determining the orientation of the total dipole moments of distinct rotamers of the same molecule is discussed. Utilizing solely the experimental dipole moments obtained with microwave spectroscopy (gas phase) and an approximate structure, the orientation of the dipole moment can often be determined without use of bond moment considerations. Experimental data from nine rotamer pairs are analyzed to illustrate the method.

Dielectric Relaxation of a Cholesterol Domain Near a Graphite Wall - A Computer Simulation

2008 ◽  
Vol 140 ◽  
pp. 153-158
Author(s):  
P. Raczynski ◽  
Z. Gburski
Keyword(s):  
Molecular Dynamics ◽  
Computer Simulation ◽  
Dipole Moment ◽  
Dielectric Loss ◽  
Dielectric Relaxation ◽  
Autocorrelation Function ◽  
Total Dipole Moment ◽  
Physiological Temperature ◽  
Pure Cholesterol

Molecular dynamics (MD) studies are presented for a cholesterol domain near a graphite wall. The dynamic observables of cholesterol at the physiological temperature of 309 K were investigated. Attention was focused on the total dipole moment → M autocorrelation function ( ) ( ) ( ) / (0)2 ∧ → → → C t = M t ⋅M t M and the dielectric loss spectrum ε’’(ν). Additionally, the comparison with the dielectric relaxation of a pure cholesterol cluster without a graphite wall is presented and discussed.

Microwave Spectrum, Dipole Moment, and Intramolecular Hydrogen Bond of 2-Methoxyethanol

1972 ◽  
Vol 50 (8) ◽  
pp. 1149-1156 ◽  
Author(s):  
Paul Buckley ◽  
Mireille Brochu
Keyword(s):  
Dipole Moment ◽  
Minimum Energy ◽  
Lone Pair ◽  
Microwave Spectrum ◽  
Rotational Isomer ◽  
Ether Oxygen ◽  
Intramolecular Hydrogen ◽  
Lone Pair Electrons ◽  
Hydroxyl Hydrogen Atom ◽  
Hydroxyl Hydrogen

The minimum energy conformation of 2-methoxyethanol (CH3OCH2CH2OH) has been determined from an analysis of its microwave spectrum. The rotational constants of the normal species are: A = 12982.35, B = 2742.48, and C = 2468.10 MHz; the dipole moment components are μa = 2.03, μb = 1.15, [Formula: see text] and μ = 2.36 ± 0.03 D. For the CH3OCH2CH2OD species: A = 12385.71, B = 2724.74, and C = 2431.42 MHz. The conformation consistent with this data is gauche about each of the C—C, C—O(H) and C—O(ether) bonds, having dihedral angles of 57 ± 3°, 45 ± 5°, and 8 ± 3°, respectively. This distorted conformation is one in which the hydroxyl hydrogen atom is approximately aligned with the nearest sp3 lone pair electrons of the ether oxygen atom. Transitions in three excited torsional states have also been observed but no other rotational isomer was detected.

Critical Survey of the method of ionic-homopolar resonance

1951 ◽  
Vol 207 (1088) ◽  
pp. 63-73 ◽  
Keyword(s):  
Dipole Moment ◽  
Lone Pair ◽  
Atomic Radius ◽  
Substantial Part ◽  
Critical Survey ◽  
Conventional Theory ◽  
Total Dipole Moment ◽  
Atomic Orbitals ◽  
Individual Bond ◽  
Lone Pair Electrons

Some of the theoretical difficulties in the method of ionic-covalent resonance are discussed. They include our ignorance of the fundamental energies, and also of the orbitals used. If these are hybrids, as usually occurs, considerable care is required in using the conventional theory because: (1) the atomic radius, and (2) the effective electronegativity of a hybrid depend on the degree of mixing of the basic atomic orbitals. In polyatomic molecules the lone-pair electrons play a substantial part in determining the total dipole moment, and there are further difficulties associated with (1) independence, (2) partial delocalization, and (3) possible 'bent’ character of the bonds. As a result many bonds (e.g. CH, NH, OH) are intrinsically much less ionic than is usually supposed. In addition the dipole moment of a molecule does not depend in any simple way upon the formal charges associated with the atoms; nor does it provide a completely satisfactory basis for assigning individual bond moments. The paper concludes with an outline of some possible improvements which merit further research.

The Microwave Spectrum, Dipole Moment, and Structure of Glycidol

1975 ◽  
Vol 53 (15) ◽  
pp. 2247-2251 ◽  
Author(s):  
W. V. F. Brooks ◽  
K. V. L. N. Sastry
Keyword(s):  
Hydrogen Bonding ◽  
Dipole Moment ◽  
Hydrogen Atom ◽  
Microwave Spectrum ◽  
Centrifugal Distortion ◽  
Total Dipole Moment ◽  
Hindered Rotation ◽  
Rotational Constants ◽  
Microwave Spectra ◽  
Centrifugal Distortion Constants

The microwave spectra of glycidol [Formula: see text] and its deuterated (—OD) form have been studied in the range 8–40 GHz. The rotational (in MHz) and centrifugal distortion constants (in kHz) of glycidol are: A = 10 347.87, B = 4102.36, C = 3781.95; ΔJ = 2.38, ΔJK = −311, ΔK = 5.2, δJ = 0.3159, δK = −9.76. The rotational constants and distortion constants of glycidol (OD) are A = 10 010.31, B = 4056.73, C = 3717.02; ΔJ = 2.53, ΔJK = 197, ΔK = 7.7,δJ = 0.3532,δK = −7.19. The dipole moment components of the normal molecule in Debye units are μa = 0.61, μb = 1.20, μc = 0.52, and the total dipole moment is 1.44 D.A structure is derived with the alcoholic hydrogen atom close (2.5 Å) to the ring oxygen. The structure and the absence of signs of free or hindered rotation, can be accounted for by hydrogen bonding between the proton and the ring oxygen.

The dielectric constant of polar fluids and the distribution of the total dipole moment

1994 ◽  
Vol 100 (10) ◽  
pp. 7654-7664 ◽  
Author(s):  
P. G. Kusalik ◽  
M. E. Mandy ◽  
I. M. Svishchev
Keyword(s):  
Dielectric Constant ◽  
Dipole Moment ◽  
Total Dipole Moment ◽  
Polar Fluids

scholarly journals Vortices as fractons

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Darshil Doshi ◽  
Andrey Gromov
Keyword(s):  
Magnetic Field ◽  
Experimental Study ◽  
Dipole Moment ◽  
Charged Particles ◽  
Curved Surfaces ◽  
Total Dipole Moment ◽  
Curved Space ◽  
Spatial Dimensions ◽  
Restricted Mobility ◽  
Superfluid Vortices

AbstractFracton phases of matter feature local excitations with restricted mobility. Despite the substantial theoretical progress they lack conclusive experimental evidence. We discuss a simple and experimentally available realization of fracton physics. We note that superfluid vortices form a Hamiltonian system that conserves total dipole moment and trace of the quadrupole moment of vorticity; thereby establishing a relation to a traceless scalar charge theory in two spatial dimensions. Next we consider the limit where the number of vortices is large and show that emergent vortex hydrodynamics also conserves these moments. Finally, we show that on curved surfaces, the motion of vortices and that of fractons agree; thereby opening a route to experimental study of the interplay between fracton physics and curved space. Our conclusions also apply to charged particles in a strong magnetic field.

scholarly journals Site correlations, capacitance, and polarizability from protein protonisation fluctuations

2021 ◽  
Author(s):  
Anže Božič ◽  
Rudolf Podgornik
Keyword(s):  
Dipole Moment ◽  
Globular Protein ◽  
Bathing Solution ◽  
Total Charge ◽  
Total Dipole Moment ◽  
Solution Ph ◽  
Similar Dependence

We generalize the Kirkwood-Shumaker theory of protonisation fluctuation for an anisotropic distribution of dissociable charges on a globular protein. The fluctuations of the total charge and the total dipole moment, in contrast to their average values, depend on the same proton occupancy correlator, thus exhibiting a similar dependence also on the solution pH. This has important consequences for the Kirkwood-Shumaker interaction and its dependence on the bathing solution conditions.

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